Azidoacetic acid NHS ester - ≥95% , CAS No.824426-32-6

CAS: 824426-32-6 Cat. No.: A595775 Molecular Weight: 198.14 EC Number: 852-356-9

GRADE & PURITY ≥95%

Synonyms

AKOS030227956 | 2,5-dioxopyrrolidin-1-yl 2-azidoacetate | MFCD24452499 | BP-22467 | Azidoacetic acid NHS ester | 2-Azidoacetic acid 2,5-dioxo-1-pyrrolidinyl ester | 2,5-Pyrrolidinedione, 1-[(azidoacetyl)oxy]- | DTXSID30731335 | (2,5-dioxopyrrolidin-1-yl)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Azidoacetic acid NHS ester is a compound containing an azide group and an NHS ester. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.

Specifications

Synonyms

AKOS030227956 | 2, 5-dioxopyrrolidin-1-yl 2-azidoacetate | MFCD24452499 | BP-22467 | Azidoacetic acid NHS ester | 2-Azidoacetic acid 2, 5-dioxo-1-pyrrolidinyl ester | 2, 5-Pyrrolidinedione, 1-[(azidoacetyl)oxy]- | DTXSID30731335 | (2, 5-dioxopyrrolidin-1-yl)

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CN=[N+]=[N-]
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-azidoacetate
• InChIKey: FENNDBOWHRZLTQ-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4O4/c7-9-8-3-6(13)14-10-4(11)1-2-5(10)12/h1-3H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CN=[N+]=[N-]
• Molecular Weight: 198.14
• Reaxy-Rn: 10249367
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10249367&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Lactams Azo imides Azo compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Azo imide - Azo compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic salt - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light & Moisture & heat sensitive
• Melt Point(°C): 132-133°C
• Molecular Weight: 198.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 198.039 Da
• Monoisotopic Mass: 198.039 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 317.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1